UCSF

ZINC19685122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.28 0.56 -44.78 4 3 1 51 209.313 6
Hi High (pH 8-9.5) 0.28 0.09 -3.97 3 3 0 49 208.305 6
Mid Mid (pH 6-8) 0.28 2.78 -30.54 4 3 1 51 209.313 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )